N-(3-ethoxypropyl)-9-hydroxy-1,7,7-trimethyl-8,9-dihydrofuro[3,2-f]chromene-2-carboxamide

C20H27NO5 — CID 20916478

IUPACN-(3-ethoxypropyl)-9-hydroxy-1,7,7-trimethyl-8,9-dihydrofuro[3,2-f]chromene-2-carboxamide
SMILESCCOCCCNC(=O)c1oc2ccc3c(c2c1C)C(O)CC(C)(C)O3
InChIInChI=1S/C20H27NO5/c1-5-24-10-6-9-21-19(23)18-12(2)16-14(25-18)7-8-15-17(16)13(22)11-20(3,4)26-15/h7-8,13,22H,5-6,9-11H2,1-4H3,(H,21,23)
InChIKeyRUVKZAJBWSCBDX-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.49
Rot. Bonds6

About N-(3-ethoxypropyl)-9-hydroxy-1,7,7-trimethyl-8,9-dihydrofuro[3,2-f]chromene-2-carboxamide

N-(3-ethoxypropyl)-9-hydroxy-1,7,7-trimethyl-8,9-dihydrofuro[3,2-f]chromene-2-carboxamide (PubChem CID 20916478) has the molecular formula C20H27NO5 and a molecular weight of 361.44 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-9-hydroxy-1,7,7-trimethyl-8,9-dihydrofuro[3,2-f]chromene-2-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-9-hydroxy-1,7,7-trimethyl-8,9-dihydrofuro[3,2-f]chromene-2-carboxamide
PubChem CID20916478
Molecular FormulaC20H27NO5
Molecular Weight361.44 g/mol
Exact Mass361.19
IUPAC NameN-(3-ethoxypropyl)-9-hydroxy-1,7,7-trimethyl-8,9-dihydrofuro[3,2-f]chromene-2-carboxamide
SMILESCCOCCCNC(=O)c1oc2ccc3c(c2c1C)C(O)CC(C)(C)O3
InChIInChI=1S/C20H27NO5/c1-5-24-10-6-9-21-19(23)18-12(2)16-14(25-18)7-8-15-17(16)13(22)11-20(3,4)26-15/h7-8,13,22H,5-6,9-11H2,1-4H3,(H,21,23)
InChIKeyRUVKZAJBWSCBDX-UHFFFAOYSA-N
XLogP3.49
TPSA80.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-9-hydroxy-1,7,7-trimethyl-8,9-dihydrofuro[3,2-f]chromene-2-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-9-hydroxy-1,7,7-trimethyl-8,9-dihydrofuro[3,2-f]chromene-2-carboxamide (CID 20916478) is N-(3-ethoxypropyl)-9-hydroxy-1,7,7-trimethyl-8,9-dihydrofuro[3,2-f]chromene-2-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-9-hydroxy-1,7,7-trimethyl-8,9-dihydrofuro[3,2-f]chromene-2-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-9-hydroxy-1,7,7-trimethyl-8,9-dihydrofuro[3,2-f]chromene-2-carboxamide is CCOCCCNC(=O)c1oc2ccc3c(c2c1C)C(O)CC(C)(C)O3.
What is the InChIKey of N-(3-ethoxypropyl)-9-hydroxy-1,7,7-trimethyl-8,9-dihydrofuro[3,2-f]chromene-2-carboxamide?
The InChIKey is RUVKZAJBWSCBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO5/c1-5-24-10-6-9-21-19(23)18-12(2)16-14(25-18)7-8-15-17(16)13(22)11-20(3,4)26-15/h7-8,13,22H,5-6,9-11H2,1-4H3,(H,21,23).
What are the key properties of N-(3-ethoxypropyl)-9-hydroxy-1,7,7-trimethyl-8,9-dihydrofuro[3,2-f]chromene-2-carboxamide?
N-(3-ethoxypropyl)-9-hydroxy-1,7,7-trimethyl-8,9-dihydrofuro[3,2-f]chromene-2-carboxamide has a molecular weight of 361.44 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-9-hydroxy-1,7,7-trimethyl-8,9-dihydrofuro[3,2-f]chromene-2-carboxamide is sourced from PubChem (CID 20916478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).